{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "467461406004", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "738758220680", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "210428803325", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "326197759865", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "069194514336", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "006970922000", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "907592504706", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "423953385754", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "635670615189", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "091010907707", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "061320330510", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "567860806159", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "728246768343", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "208583144102", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "741104487208", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "088231830433", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "138238160003", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "266120009713", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "068509008767", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "341549139628", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "803281224706", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "058727825087", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "187861681071", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "460626298310", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "095711404967", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "258561784056", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "846886253377", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "413281952688", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "789907260699", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "611058796574", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "327148800867", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "257368666705", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "349817016790", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "537577604193", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "583566426570", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "419011531126", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "544548526193", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "491158930813", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "842964916881", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "180219141384", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "582169838985", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "904285247857", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "748079947543", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "310416606864", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "112868391495", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "489184434287", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "398648437297", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "251106551499", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "755304444000", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "467157446530", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "592655691127", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "558585668242", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "525885271618", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "780517372665", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "019211966087", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "621596676586", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "039079156256", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "866098219931", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "034878629275", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "828986416956", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "477157016040", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "362027430143", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "086355083196", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "826974032831", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "899605034337", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "669921510232", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "245985563493", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "444153560531", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "161080440581", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "088950479910", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "624372701916", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "743250279567", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "993235727767", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "372452648995", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "bcc", "symbolcode": "14", "natoms": "2", "mass": "28.0855", "symbol": "Si", "kimnum": "053666885967", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional bcc unit cell at a lattice constant of 3.088 Angstroms (equilibrium LDA-DFT value quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "106104118798", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "861637083282", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "452315323730", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "357210670763", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "616941526818", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "919472770261", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "949866361891", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "175527195062", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "445358041415", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "730383734092", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "194739161149", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "066954718002", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "769462890349", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "060837380616", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "101833347278", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "598449307306", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "537994396657", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "463860777422", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "684804390502", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "364968429023", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "363465811294", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "354725900270", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "610953992516", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "807619371826", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "515806341317", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "699904472892", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "431992073278", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "259056620420", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "693140200195", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "804444722273", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "312723506853", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "799244319460", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "666081805091", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "765038830583", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "156454989759", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "283023331911", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "684511600380", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "106321351186", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "458550526973", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "129869641330", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "836705085744", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "653289688123", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "196824359333", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "606167975629", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "714127069205", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "298657706611", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "204617282470", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "252121465397", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "762518484034", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "889421673439", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "617089894886", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "125984295329", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "244147573245", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "228043886938", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "933603667156", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "759953914563", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "927948359831", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "365595740436", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "019010534984", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "621088560027", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "170040462245", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "331734041837", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "420332879023", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "836122267802", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "096772871956", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "576787868782", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "119145599249", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "781284472336", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "683109219969", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "577696126222", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "911154113667", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "519814305248", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "230985813881", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "107978473001", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "125982280879", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "945112883086", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "406636179613", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "330599563349", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "197234348485", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "169154663648", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "220021236324", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "814324243372", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "295138958978", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "464168810035", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "042368129846", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "228742625670", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "224122724134", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "970316490143", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "594338366106", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "243133259118", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "591405049706", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "764378828817", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "574867300956", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "011737928265", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "600501096155", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "671640172912", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "588525797048", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "719646695404", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "452924644784", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "diamond", "symbolcode": "14", "natoms": "8", "mass": "28.0855", "symbol": "Si", "kimnum": "271635016552", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a conventional diamond unit cell at a lattice constant of 5.46514953 Angstroms (optimized using the GGA-PBE xc functional in VASP). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "random", "symbolcode": "14", "natoms": "64", "mass": "28.0855", "symbol": "Si", "kimnum": "297342821162", "description": "This test computes the potential energy and forces of a periodic orthogonal box of 64 silicon atoms. The atomic positions for this test were obtained by first initializing the atoms in a 2x2x2 unit cell diamond configuration with a lattice constant of 5.431 Angstroms (conventional unit cell). The box dimensions were then held fixed and dynamics were performed in LAMMPS (http://lammps.sandia.gov) under a Tersoff (T2) potential by heating the atoms to ~4100K using a Langevin thermostat for 2000 time steps (each time step was 0.001ps). The system was then cooled to 0K using a Langevin thermostat for 15000 timesteps. Finally, static minimization of the positions (using the conjugate gradient algorithm in LAMMPS) was performed under the T2 potential."}
{"version": "001", "latticetype": "random", "symbolcode": "14", "natoms": "64", "mass": "28.0855", "symbol": "Si", "kimnum": "364078758453", "description": "This test computes the potential energy and forces of a periodic orthogonal box of 64 silicon atoms. The atomic positions for this test were obtained by first initializing the atoms in a 2x2x2 unit cell diamond configuration with a lattice constant of 5.431 Angstroms (conventional unit cell). The box dimensions were then held fixed and dynamics were performed in LAMMPS (http://lammps.sandia.gov) under a Tersoff (T2) potential by heating the atoms to ~4100K using a Langevin thermostat for 2000 time steps (each time step was 0.001ps). The system was then cooled to 0K using a Langevin thermostat for 15000 timesteps. Finally, static minimization of the positions (using the conjugate gradient algorithm in LAMMPS) was performed under the T2 potential."}
{"version": "001", "latticetype": "random", "symbolcode": "14", "natoms": "64", "mass": "28.0855", "symbol": "Si", "kimnum": "791449322267", "description": "This test computes the potential energy and forces of a periodic orthogonal box of 64 silicon atoms. The atomic positions for this test were obtained by first initializing the atoms in a 2x2x2 unit cell diamond configuration with a lattice constant of 5.431 Angstroms (conventional unit cell). The box dimensions were then held fixed and dynamics were performed in LAMMPS (http://lammps.sandia.gov) under a Tersoff (T2) potential by heating the atoms to ~4100K using a Langevin thermostat for 2000 time steps (each time step was 0.001ps). The system was then cooled to 0K using a Langevin thermostat for 15000 timesteps. Finally, static minimization of the positions (using the conjugate gradient algorithm in LAMMPS) was performed under the T2 potential."}
{"version": "001", "latticetype": "random", "symbolcode": "14", "natoms": "64", "mass": "28.0855", "symbol": "Si", "kimnum": "528328635044", "description": "This test computes the potential energy and forces of a periodic orthogonal box of 64 silicon atoms. The atomic positions for this test were obtained by first initializing the atoms in a 2x2x2 unit cell diamond configuration with a lattice constant of 5.431 Angstroms (conventional unit cell). The box dimensions were then held fixed and dynamics were performed in LAMMPS (http://lammps.sandia.gov) under a Tersoff (T2) potential by heating the atoms to ~4100K using a Langevin thermostat for 2000 time steps (each time step was 0.001ps). The system was then cooled to 0K using a Langevin thermostat for 15000 timesteps. Finally, static minimization of the positions (using the conjugate gradient algorithm in LAMMPS) was performed under the T2 potential."}
{"version": "001", "latticetype": "random", "symbolcode": "14", "natoms": "64", "mass": "28.0855", "symbol": "Si", "kimnum": "472057231455", "description": "This test computes the potential energy and forces of a periodic orthogonal box of 64 silicon atoms. The atomic positions for this test were obtained by first initializing the atoms in a 2x2x2 unit cell diamond configuration with a lattice constant of 5.431 Angstroms (conventional unit cell). The box dimensions were then held fixed and dynamics were performed in LAMMPS (http://lammps.sandia.gov) under a Tersoff (T2) potential by heating the atoms to ~4100K using a Langevin thermostat for 2000 time steps (each time step was 0.001ps). The system was then cooled to 0K using a Langevin thermostat for 15000 timesteps. Finally, static minimization of the positions (using the conjugate gradient algorithm in LAMMPS) was performed under the T2 potential."}
{"version": "001", "latticetype": "random", "symbolcode": "14", "natoms": "64", "mass": "28.0855", "symbol": "Si", "kimnum": "917431603146", "description": "This test computes the potential energy and forces of a periodic orthogonal box of 64 silicon atoms. The atomic positions for this test were obtained by first initializing the atoms in a 2x2x2 unit cell diamond configuration with a lattice constant of 5.431 Angstroms (conventional unit cell). The box dimensions were then held fixed and dynamics were performed in LAMMPS (http://lammps.sandia.gov) under a Tersoff (T2) potential by heating the atoms to ~4100K using a Langevin thermostat for 2000 time steps (each time step was 0.001ps). The system was then cooled to 0K using a Langevin thermostat for 15000 timesteps. Finally, static minimization of the positions (using the conjugate gradient algorithm in LAMMPS) was performed under the T2 potential."}
{"version": "001", "latticetype": "random", "symbolcode": "14", "natoms": "64", "mass": "28.0855", "symbol": "Si", "kimnum": "473441518131", "description": "This test computes the potential energy and forces of a periodic orthogonal box of 64 silicon atoms. The atomic positions for this test were obtained by first initializing the atoms in a 2x2x2 unit cell diamond configuration with a lattice constant of 5.431 Angstroms (conventional unit cell). The box dimensions were then held fixed and dynamics were performed in LAMMPS (http://lammps.sandia.gov) under a Tersoff (T2) potential by heating the atoms to ~4100K using a Langevin thermostat for 2000 time steps (each time step was 0.001ps). The system was then cooled to 0K using a Langevin thermostat for 15000 timesteps. Finally, static minimization of the positions (using the conjugate gradient algorithm in LAMMPS) was performed under the T2 potential."}
{"version": "001", "latticetype": "random", "symbolcode": "14", "natoms": "64", "mass": "28.0855", "symbol": "Si", "kimnum": "878693411069", "description": "This test computes the potential energy and forces of a periodic orthogonal box of 64 silicon atoms. The atomic positions for this test were obtained by first initializing the atoms in a 2x2x2 unit cell diamond configuration with a lattice constant of 5.431 Angstroms (conventional unit cell). The box dimensions were then held fixed and dynamics were performed in LAMMPS (http://lammps.sandia.gov) under a Tersoff (T2) potential by heating the atoms to ~4100K using a Langevin thermostat for 2000 time steps (each time step was 0.001ps). The system was then cooled to 0K using a Langevin thermostat for 15000 timesteps. Finally, static minimization of the positions (using the conjugate gradient algorithm in LAMMPS) was performed under the T2 potential."}
{"version": "001", "latticetype": "random", "symbolcode": "14", "natoms": "64", "mass": "28.0855", "symbol": "Si", "kimnum": "248031166031", "description": "This test computes the potential energy and forces of a periodic orthogonal box of 64 silicon atoms. The atomic positions for this test were obtained by first initializing the atoms in a 2x2x2 unit cell diamond configuration with a lattice constant of 5.431 Angstroms (conventional unit cell). The box dimensions were then held fixed and dynamics were performed in LAMMPS (http://lammps.sandia.gov) under a Tersoff (T2) potential by heating the atoms to ~4100K using a Langevin thermostat for 2000 time steps (each time step was 0.001ps). The system was then cooled to 0K using a Langevin thermostat for 15000 timesteps. Finally, static minimization of the positions (using the conjugate gradient algorithm in LAMMPS) was performed under the T2 potential."}
{"version": "001", "latticetype": "random", "symbolcode": "14", "natoms": "64", "mass": "28.0855", "symbol": "Si", "kimnum": "670675866617", "description": "This test computes the potential energy and forces of a periodic orthogonal box of 64 silicon atoms. The atomic positions for this test were obtained by first initializing the atoms in a 2x2x2 unit cell diamond configuration with a lattice constant of 5.431 Angstroms (conventional unit cell). The box dimensions were then held fixed and dynamics were performed in LAMMPS (http://lammps.sandia.gov) under a Tersoff (T2) potential by heating the atoms to ~4100K using a Langevin thermostat for 2000 time steps (each time step was 0.001ps). The system was then cooled to 0K using a Langevin thermostat for 15000 timesteps. Finally, static minimization of the positions (using the conjugate gradient algorithm in LAMMPS) was performed under the T2 potential."}
{"version": "001", "latticetype": "random", "symbolcode": "14", "natoms": "64", "mass": "28.0855", "symbol": "Si", "kimnum": "047848074253", "description": "This test computes the potential energy and forces of a periodic orthogonal box of 64 silicon atoms. The atomic positions for this test were obtained by first initializing the atoms in a 2x2x2 unit cell diamond configuration with a lattice constant of 5.431 Angstroms (conventional unit cell). The box dimensions were then held fixed and dynamics were performed in LAMMPS (http://lammps.sandia.gov) under a Tersoff (T2) potential by heating the atoms to ~4100K using a Langevin thermostat for 2000 time steps (each time step was 0.001ps). The system was then cooled to 0K using a Langevin thermostat for 15000 timesteps. Finally, static minimization of the positions (using the conjugate gradient algorithm in LAMMPS) was performed under the T2 potential."}
{"version": "001", "latticetype": "random", "symbolcode": "14", "natoms": "64", "mass": "28.0855", "symbol": "Si", "kimnum": "468052402821", "description": "This test computes the potential energy and forces of a periodic orthogonal box of 64 silicon atoms. The atomic positions for this test were obtained by first initializing the atoms in a 2x2x2 unit cell diamond configuration with a lattice constant of 5.431 Angstroms (conventional unit cell). The box dimensions were then held fixed and dynamics were performed in LAMMPS (http://lammps.sandia.gov) under a Tersoff (T2) potential by heating the atoms to ~4100K using a Langevin thermostat for 2000 time steps (each time step was 0.001ps). The system was then cooled to 0K using a Langevin thermostat for 15000 timesteps. Finally, static minimization of the positions (using the conjugate gradient algorithm in LAMMPS) was performed under the T2 potential."}
{"version": "001", "latticetype": "random", "symbolcode": "14", "natoms": "64", "mass": "28.0855", "symbol": "Si", "kimnum": "485000109525", "description": "This test computes the potential energy and forces of a periodic orthogonal box of 64 silicon atoms. The atomic positions for this test were obtained by first initializing the atoms in a 2x2x2 unit cell diamond configuration with a lattice constant of 5.431 Angstroms (conventional unit cell). The box dimensions were then held fixed and dynamics were performed in LAMMPS (http://lammps.sandia.gov) under a Tersoff (T2) potential by heating the atoms to ~4100K using a Langevin thermostat for 2000 time steps (each time step was 0.001ps). The system was then cooled to 0K using a Langevin thermostat for 15000 timesteps. Finally, static minimization of the positions (using the conjugate gradient algorithm in LAMMPS) was performed under the T2 potential."}
{"version": "001", "latticetype": "random", "symbolcode": "14", "natoms": "64", "mass": "28.0855", "symbol": "Si", "kimnum": "342987033232", "description": "This test computes the potential energy and forces of a periodic orthogonal box of 64 silicon atoms. The atomic positions for this test were obtained by first initializing the atoms in a 2x2x2 unit cell diamond configuration with a lattice constant of 5.431 Angstroms (conventional unit cell). The box dimensions were then held fixed and dynamics were performed in LAMMPS (http://lammps.sandia.gov) under a Tersoff (T2) potential by heating the atoms to ~4100K using a Langevin thermostat for 2000 time steps (each time step was 0.001ps). The system was then cooled to 0K using a Langevin thermostat for 15000 timesteps. Finally, static minimization of the positions (using the conjugate gradient algorithm in LAMMPS) was performed under the T2 potential."}
{"version": "001", "latticetype": "random", "symbolcode": "14", "natoms": "64", "mass": "28.0855", "symbol": "Si", "kimnum": "932221212857", "description": "This test computes the potential energy and forces of a periodic orthogonal box of 64 silicon atoms. The atomic positions for this test were obtained by first initializing the atoms in a 2x2x2 unit cell diamond configuration with a lattice constant of 5.431 Angstroms (conventional unit cell). The box dimensions were then held fixed and dynamics were performed in LAMMPS (http://lammps.sandia.gov) under a Tersoff (T2) potential by heating the atoms to ~4100K using a Langevin thermostat for 2000 time steps (each time step was 0.001ps). The system was then cooled to 0K using a Langevin thermostat for 15000 timesteps. Finally, static minimization of the positions (using the conjugate gradient algorithm in LAMMPS) was performed under the T2 potential."}
{"version": "001", "latticetype": "random", "symbolcode": "14", "natoms": "64", "mass": "28.0855", "symbol": "Si", "kimnum": "527368239372", "description": "This test computes the potential energy and forces of a periodic orthogonal box of 64 silicon atoms. The atomic positions for this test were obtained by first initializing the atoms in a 2x2x2 unit cell diamond configuration with a lattice constant of 5.431 Angstroms (conventional unit cell). The box dimensions were then held fixed and dynamics were performed in LAMMPS (http://lammps.sandia.gov) under a Tersoff (T2) potential by heating the atoms to ~4100K using a Langevin thermostat for 2000 time steps (each time step was 0.001ps). The system was then cooled to 0K using a Langevin thermostat for 15000 timesteps. Finally, static minimization of the positions (using the conjugate gradient algorithm in LAMMPS) was performed under the T2 potential."}
{"version": "001", "latticetype": "random", "symbolcode": "14", "natoms": "64", "mass": "28.0855", "symbol": "Si", "kimnum": "571729659368", "description": "This test computes the potential energy and forces of a periodic orthogonal box of 64 silicon atoms. The atomic positions for this test were obtained by first initializing the atoms in a 2x2x2 unit cell diamond configuration with a lattice constant of 5.431 Angstroms (conventional unit cell). The box dimensions were then held fixed and dynamics were performed in LAMMPS (http://lammps.sandia.gov) under a Tersoff (T2) potential by heating the atoms to ~4100K using a Langevin thermostat for 2000 time steps (each time step was 0.001ps). The system was then cooled to 0K using a Langevin thermostat for 15000 timesteps. Finally, static minimization of the positions (using the conjugate gradient algorithm in LAMMPS) was performed under the T2 potential."}
{"version": "001", "latticetype": "random", "symbolcode": "14", "natoms": "64", "mass": "28.0855", "symbol": "Si", "kimnum": "156343936527", "description": "This test computes the potential energy and forces of a periodic orthogonal box of 64 silicon atoms. The atomic positions for this test were obtained by first initializing the atoms in a 2x2x2 unit cell diamond configuration with a lattice constant of 5.431 Angstroms (conventional unit cell). The box dimensions were then held fixed and dynamics were performed in LAMMPS (http://lammps.sandia.gov) under a Tersoff (T2) potential by heating the atoms to ~4100K using a Langevin thermostat for 2000 time steps (each time step was 0.001ps). The system was then cooled to 0K using a Langevin thermostat for 15000 timesteps. Finally, static minimization of the positions (using the conjugate gradient algorithm in LAMMPS) was performed under the T2 potential."}
{"version": "001", "latticetype": "random", "symbolcode": "14", "natoms": "64", "mass": "28.0855", "symbol": "Si", "kimnum": "497684729051", "description": "This test computes the potential energy and forces of a periodic orthogonal box of 64 silicon atoms. The atomic positions for this test were obtained by first initializing the atoms in a 2x2x2 unit cell diamond configuration with a lattice constant of 5.431 Angstroms (conventional unit cell). The box dimensions were then held fixed and dynamics were performed in LAMMPS (http://lammps.sandia.gov) under a Tersoff (T2) potential by heating the atoms to ~4100K using a Langevin thermostat for 2000 time steps (each time step was 0.001ps). The system was then cooled to 0K using a Langevin thermostat for 15000 timesteps. Finally, static minimization of the positions (using the conjugate gradient algorithm in LAMMPS) was performed under the T2 potential."}
{"version": "001", "latticetype": "random", "symbolcode": "14", "natoms": "64", "mass": "28.0855", "symbol": "Si", "kimnum": "166068025010", "description": "This test computes the potential energy and forces of a periodic orthogonal box of 64 silicon atoms. The atomic positions for this test were obtained by first initializing the atoms in a 2x2x2 unit cell diamond configuration with a lattice constant of 5.431 Angstroms (conventional unit cell). The box dimensions were then held fixed and dynamics were performed in LAMMPS (http://lammps.sandia.gov) under a Tersoff (T2) potential by heating the atoms to ~4100K using a Langevin thermostat for 2000 time steps (each time step was 0.001ps). The system was then cooled to 0K using a Langevin thermostat for 15000 timesteps. Finally, static minimization of the positions (using the conjugate gradient algorithm in LAMMPS) was performed under the T2 potential."}
{"version": "001", "latticetype": "sh", "symbolcode": "14", "natoms": "64", "mass": "28.0855", "symbol": "Si", "kimnum": "399477196111", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a 64-atom simple hexagonal supercell (4x4x4 1-atom unit cells) constructed using a lattice constant of a=2.639 Angstroms with c/a=0.94 (equilibrium LDA-DFT values quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "sh", "symbolcode": "14", "natoms": "64", "mass": "28.0855", "symbol": "Si", "kimnum": "089089778293", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a 64-atom simple hexagonal supercell (4x4x4 1-atom unit cells) constructed using a lattice constant of a=2.639 Angstroms with c/a=0.94 (equilibrium LDA-DFT values quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "sh", "symbolcode": "14", "natoms": "64", "mass": "28.0855", "symbol": "Si", "kimnum": "930446853827", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a 64-atom simple hexagonal supercell (4x4x4 1-atom unit cells) constructed using a lattice constant of a=2.639 Angstroms with c/a=0.94 (equilibrium LDA-DFT values quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "sh", "symbolcode": "14", "natoms": "64", "mass": "28.0855", "symbol": "Si", "kimnum": "974344497067", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a 64-atom simple hexagonal supercell (4x4x4 1-atom unit cells) constructed using a lattice constant of a=2.639 Angstroms with c/a=0.94 (equilibrium LDA-DFT values quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "sh", "symbolcode": "14", "natoms": "64", "mass": "28.0855", "symbol": "Si", "kimnum": "100827706558", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a 64-atom simple hexagonal supercell (4x4x4 1-atom unit cells) constructed using a lattice constant of a=2.639 Angstroms with c/a=0.94 (equilibrium LDA-DFT values quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "sh", "symbolcode": "14", "natoms": "64", "mass": "28.0855", "symbol": "Si", "kimnum": "530947949518", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a 64-atom simple hexagonal supercell (4x4x4 1-atom unit cells) constructed using a lattice constant of a=2.639 Angstroms with c/a=0.94 (equilibrium LDA-DFT values quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "sh", "symbolcode": "14", "natoms": "64", "mass": "28.0855", "symbol": "Si", "kimnum": "645984669981", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a 64-atom simple hexagonal supercell (4x4x4 1-atom unit cells) constructed using a lattice constant of a=2.639 Angstroms with c/a=0.94 (equilibrium LDA-DFT values quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "sh", "symbolcode": "14", "natoms": "64", "mass": "28.0855", "symbol": "Si", "kimnum": "689353503607", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a 64-atom simple hexagonal supercell (4x4x4 1-atom unit cells) constructed using a lattice constant of a=2.639 Angstroms with c/a=0.94 (equilibrium LDA-DFT values quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "sh", "symbolcode": "14", "natoms": "64", "mass": "28.0855", "symbol": "Si", "kimnum": "250594644458", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a 64-atom simple hexagonal supercell (4x4x4 1-atom unit cells) constructed using a lattice constant of a=2.639 Angstroms with c/a=0.94 (equilibrium LDA-DFT values quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "sh", "symbolcode": "14", "natoms": "64", "mass": "28.0855", "symbol": "Si", "kimnum": "098909314302", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a 64-atom simple hexagonal supercell (4x4x4 1-atom unit cells) constructed using a lattice constant of a=2.639 Angstroms with c/a=0.94 (equilibrium LDA-DFT values quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "sh", "symbolcode": "14", "natoms": "64", "mass": "28.0855", "symbol": "Si", "kimnum": "960988520625", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a 64-atom simple hexagonal supercell (4x4x4 1-atom unit cells) constructed using a lattice constant of a=2.639 Angstroms with c/a=0.94 (equilibrium LDA-DFT values quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "sh", "symbolcode": "14", "natoms": "64", "mass": "28.0855", "symbol": "Si", "kimnum": "547937465620", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a 64-atom simple hexagonal supercell (4x4x4 1-atom unit cells) constructed using a lattice constant of a=2.639 Angstroms with c/a=0.94 (equilibrium LDA-DFT values quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "sh", "symbolcode": "14", "natoms": "64", "mass": "28.0855", "symbol": "Si", "kimnum": "462988072755", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a 64-atom simple hexagonal supercell (4x4x4 1-atom unit cells) constructed using a lattice constant of a=2.639 Angstroms with c/a=0.94 (equilibrium LDA-DFT values quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "sh", "symbolcode": "14", "natoms": "64", "mass": "28.0855", "symbol": "Si", "kimnum": "752437842428", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a 64-atom simple hexagonal supercell (4x4x4 1-atom unit cells) constructed using a lattice constant of a=2.639 Angstroms with c/a=0.94 (equilibrium LDA-DFT values quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "sh", "symbolcode": "14", "natoms": "64", "mass": "28.0855", "symbol": "Si", "kimnum": "076266100665", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a 64-atom simple hexagonal supercell (4x4x4 1-atom unit cells) constructed using a lattice constant of a=2.639 Angstroms with c/a=0.94 (equilibrium LDA-DFT values quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "sh", "symbolcode": "14", "natoms": "64", "mass": "28.0855", "symbol": "Si", "kimnum": "935045304211", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a 64-atom simple hexagonal supercell (4x4x4 1-atom unit cells) constructed using a lattice constant of a=2.639 Angstroms with c/a=0.94 (equilibrium LDA-DFT values quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "sh", "symbolcode": "14", "natoms": "64", "mass": "28.0855", "symbol": "Si", "kimnum": "669869445109", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a 64-atom simple hexagonal supercell (4x4x4 1-atom unit cells) constructed using a lattice constant of a=2.639 Angstroms with c/a=0.94 (equilibrium LDA-DFT values quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "sh", "symbolcode": "14", "natoms": "64", "mass": "28.0855", "symbol": "Si", "kimnum": "549707618797", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a 64-atom simple hexagonal supercell (4x4x4 1-atom unit cells) constructed using a lattice constant of a=2.639 Angstroms with c/a=0.94 (equilibrium LDA-DFT values quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "sh", "symbolcode": "14", "natoms": "64", "mass": "28.0855", "symbol": "Si", "kimnum": "813738715281", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a 64-atom simple hexagonal supercell (4x4x4 1-atom unit cells) constructed using a lattice constant of a=2.639 Angstroms with c/a=0.94 (equilibrium LDA-DFT values quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}
{"version": "001", "latticetype": "sh", "symbolcode": "14", "natoms": "64", "mass": "28.0855", "symbol": "Si", "kimnum": "917900611141", "description": "This test computes the potential energy and forces of a periodic triclinic box of silicon atoms. The box dimensions and atomic positions were obtained by perturbing a 64-atom simple hexagonal supercell (4x4x4 1-atom unit cells) constructed using a lattice constant of a=2.639 Angstroms with c/a=0.94 (equilibrium LDA-DFT values quoted in H. Balamane, T. Halicioglu, and W. Tiller, Phys. Rev. B 46, 2250 (1992).). Each atomic position was perturbed in a random direction with a magnitude of displacement no greater than 0.5 Angstroms. Each of the three supercell vectors was also perturbed randomly with a magnitude of displacement no greater than 0.5 Angstroms."}